2-[2-[4-(7-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(7-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[4-[(7-chloro-2-quinoxalinyl)oxy]phenoxy]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl

Isomeric SMILES

CC(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C19H18ClN3O6S/c1-12(19(24)21-8-9-30(25,26)27)28-14-3-5-15(6-4-14)29-18-11-22-16-7-2-13(20)10-17(16)23-18/h2-7,10-12H,8-9H2,1H3,(H,21,24)(H,25,26,27)